5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol

C19H22N4OS — CID 166460066

IUPAC5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
SMILESCc1ccc(-c2nnc(NC3CCCN(C)C3)c3cscc23)c(O)c1
InChIInChI=1S/C19H22N4OS/c1-12-5-6-14(17(24)8-12)18-15-10-25-11-16(15)19(22-21-18)20-13-4-3-7-23(2)9-13/h5-6,8,10-11,13,24H,3-4,7,9H2,1-2H3,(H,20,22)
InChIKeyZDOGVFLVWMQBTD-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.88
Rot. Bonds3

About 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol

5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol (PubChem CID 166460066) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol.

Molecular Properties

Compound Name5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
PubChem CID166460066
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
SMILESCc1ccc(-c2nnc(NC3CCCN(C)C3)c3cscc23)c(O)c1
InChIInChI=1S/C19H22N4OS/c1-12-5-6-14(17(24)8-12)18-15-10-25-11-16(15)19(22-21-18)20-13-4-3-7-23(2)9-13/h5-6,8,10-11,13,24H,3-4,7,9H2,1-2H3,(H,20,22)
InChIKeyZDOGVFLVWMQBTD-UHFFFAOYSA-N
XLogP3.88
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol with MolForge

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Related Compounds

2-[6-cyclopropyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-methylphenol
CID 166151402
2-[6-cyclopropyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
CID 175368068
5-cyclopropyl-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151238
5-bromo-2-[6-methyl-4-[[(3R)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 166151317
5-bromo-2-[6-methyl-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 175368342
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]-6-methylsulfonylphthalazin-1-yl]phenol
CID 175368051
2-[6-(furan-2-yl)-4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]-5-methylphenol
CID 175368164
5-chloro-2-[4-[(1-methylpiperidin-3-yl)amino]phthalazin-1-yl]phenol
CID 170156820
1-(2,4-dimethylphenyl)-N-[(3R)-1-methylpiperidin-3-yl]pyrido[3,4-d]pyridazin-4-amine
CID 171852703
2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol
CID 170259554
2-[4-[[(3S)-1-methylpiperidin-3-yl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171852579
5-methyl-2-[2-methyl-7-[[(3R)-1-methylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]phenol
CID 169224900

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol?
The IUPAC name of 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol (CID 166460066) is 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol.
What is the SMILES notation for 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol?
The canonical SMILES for 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol is Cc1ccc(-c2nnc(NC3CCCN(C)C3)c3cscc23)c(O)c1.
What is the InChIKey of 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol?
The InChIKey is ZDOGVFLVWMQBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-5-6-14(17(24)8-12)18-15-10-25-11-16(15)19(22-21-18)20-13-4-3-7-23(2)9-13/h5-6,8,10-11,13,24H,3-4,7,9H2,1-2H3,(H,20,22).
What are the key properties of 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol?
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol has a molecular weight of 354.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol is sourced from PubChem (CID 166460066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).